4-methylhomoibotenic acid

Ligand id: 5449

Name: 4-methylhomoibotenic acid

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 109.32
Molecular weight 186.06
XLogP -3.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
2-amino-3-(4-methyl-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)propanoic acid
Synonyms
(R,S)-4-methylhomoibotenic acid
Database Links
CAS Registry No. 77006-29-2
ChEMBL Ligand CHEMBL268762
GtoPdb PubChem SID 178102100
PubChem CID 4121851
Search Google for chemical match using the InChIKey QQKCZEULAPHDJP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QQKCZEULAPHDJP
Search UniChem for chemical match using the InChIKey QQKCZEULAPHDJP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QQKCZEULAPHDJP